[Open access]

[Contents scheme]

Acta Cryst. (2014). E70, o545
[ doi:10.1107/S1600536814007764 ]


A. J. Lough, J. R. Nagireddy and W. Tam

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level A PLAT015_ALERT_5_A No _shelx_hkl_file record in SHELXL20xy CIF ... Please Do !
Alert level B Crystal system given = orthorhombic PLAT019_ALERT_1_B _diffrn_measured_fraction_theta_full/_max < 1.0 0.976 Why ?
Author Response: 97.2% of the data were measured to the required thata max. For CuKalpha radiation and the geometry of this type of diffractomer we feel this is acceptable. The good precision of the structure is reflected in the R-factors and the standard unceratinties of the geometric parameters.

Alert level C PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 53 Why ?
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT793_ALERT_4_G The Model has Chirality at C1 ............. S Verify PLAT793_ALERT_4_G The Model has Chirality at C2 ............. S Verify PLAT793_ALERT_4_G The Model has Chirality at C4 ............. R Verify PLAT793_ALERT_4_G The Model has Chirality at C5 ............. S Verify PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 81 % PLAT910_ALERT_3_G Missing # of FCF Reflections Below Th(Min) ..... 1 Why ?
1 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 1 ALERT level C = Check. Ensure it is not caused by an omission or oversight 7 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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